Geometry & MOs

Info

ID:	306921
PubChem CID:	125264340
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	2.59
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,5S,7aR)-5-(2-methylpropoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CC[C@@H]3[C@H]2CC[C@H](O3)COCC=C

DOS

IR

Vibrations